# Molecule : Benzene
# Comment  : 
# code     : Dalton
# method   : CCSD,aug-cc-pVTZ
# geom     : CC3,aug-CC-pVTZ
# article  : 10.1021/acs.jctc.9b01216

# Initial state            Final state                        Transition                    Energies (eV)   %T1    Oscilator forces     unsafe
#######################  #######################  ########################################  ############# ####### ################### ##############
# Number  Spin  Symm       Number  Spin  Symm         type                                    E_abs         %T1            f            is unsafe
  1       1     A_{1g}     1       1     B_{2u}       (\mathrm{V}; \pi \rightarrow \pi^\star) 5.20          _              _            false
  1       1     A_{1g}     1       1     B_{1u}       (\mathrm{V}; \pi \rightarrow \pi^\star) 6.50          _              _            false
  1       1     A_{1g}     1       1     E_{1g}       (\mathrm{R}; \pi \rightarrow 3s)        6.58          _              _            false
  1       1     A_{1g}     1       1     A_{2u}       (\mathrm{R}; \pi \rightarrow 3p)        7.12          _              _            false
  1       1     A_{1g}     1       1     E_{2u}       (\mathrm{R}; \pi \rightarrow 3p)        7.20          _              _            false
  1       1     A_{1g}     1       3     B_{1u}       (\mathrm{V}; \pi \rightarrow \pi^\star) 4.00          _              _            false
  1       1     A_{1g}     1       3     E_{1u}       (\mathrm{V}; \pi \rightarrow \pi^\star) 4.93          _              _            false
  1       1     A_{1g}     1       3     B_{2u}       (\mathrm{V}; \pi \rightarrow \pi^\star) 5.77          _              _            false